Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.430137217044831
cohesive_energy=3.990966885422167
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.021037552243536303
Energy: 0.4707184553617936
Energy: 1.0080008456167653
Energy: 0.4704976624267355
Energy: 0.021037552245748332
Energy: 0.4707184553670709
Energy: 1.008000845621221
Energy: 0.4326148268493845
Energy: 0.02139476916028211
Energy: 0.45801710624316855
Energy: 0.021426485884978568
Energy: 0.43261482684963737
Energy: 0.021394769158638895
Energy: 0.45801710623760683
Energy: 0.0210375522432519
Energy: 0.47071845536264684
Energy: 1.0393314205907627
Energy: 0.47049766242616664
Energy: 0.021037552244926722
Energy: 0.4707184553684613
Energy: 1.0393314205921533
Energy: 0.4326148268499218
Energy: 0.021394769161135325
Energy: 0.45801710624316855
Energy: 0.021426485885262976
Energy: 0.4326148268504906
Energy: 0.021394769158891692
Energy: 0.45801710623703806
Energy: 0.0210375522432519
Energy: 0.47071845536289963
Energy: 1.070935629602509
Energy: 0.4704976624264511
Energy: 0.02103755224549553
Energy: 0.4707184553684613
Energy: 1.0393314205943651
Energy: 0.4326148268493845
Energy: 0.021394769159744906
Energy: 0.4580171062434213
Energy: 0.021426485884978568
Energy: 0.43261482685020614
Energy: 0.02139476916028211
Energy: 0.4580171062378597

minimum gb energy = 0.0210375522432519 eV
minimum distance =  2.33736288494763 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.568068000614409
Energy: 0.6010931465369598
Energy: 0.5681011404973635
Energy: 0.5990154919435552
Energy: 0.5680680006212036
Energy: 0.6010931465403572
Energy: 0.5522618657688513
Energy: 0.5487191074167181
Energy: 0.5999032945404941
Energy: 0.5648478392156785
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Energy: 0.5999032945438915
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Energy: 0.5590391446335176
Energy: 0.5785460051123249
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Energy: 0.5590391446471069
Energy: 0.5785460050851462
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Energy: 0.5751509903838387
Energy: 0.6495322855040386
Energy: 0.5476832472467712
Energy: 0.5496655037380251
Energy: 0.5751509903974281
Energy: 0.6495322855142306
Energy: 0.5232686546824894
Energy: 0.5688073223758886
Energy: 0.5999541893652797
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Energy: 0.568807322358902
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Energy: 0.5503271817766485
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Energy: 0.5739275710481755
Energy: 0.5539123735957856
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Energy: 0.5572078306009887
Energy: 0.6179416687781346
Energy: 0.5968257659904668
Energy: 0.5817625040956423
Energy: 0.5572078305975913
Energy: 0.6179416687645451
Energy: 0.6278016541320011
Energy: 0.5818136924400796
Energy: 0.64310171944611
Energy: 0.5521055527103441
Energy: 0.6278016541150762
Energy: 0.581813692453669
Energy: 0.6431017194223287
Energy: 0.5786104461647371
Energy: 0.5648875795599374
Energy: 0.6249605471528558
Energy: 0.5832216894352127
Energy: 0.5786104461545452
Energy: 0.5648875795599374
Energy: 0.6249605471426638
Energy: 0.5384958923971045
Energy: 0.5569825634567701
Energy: 0.6220941527725348
Energy: 0.5452511276481372
Energy: 0.5384958924242215
Energy: 0.5569825634805514
Energy: 0.6220941527691375
Energy: 0.5407920764693388
Energy: 0.5584130591136854
Energy: 0.6141239915405702
Energy: 0.5627581645271053
Energy: 0.5407920764727361
Energy: 0.5584130590831093
Energy: 0.6141239915405702
Energy: 0.5200109958702447
Energy: 0.5697614971773339
Energy: 0.6388652410832877
Energy: 0.5290060404573979
Energy: 0.5200109958770394
Energy: 0.569761497197718
Energy: 0.6388652410527117

minimum gb energy = 0.5088718516055866 eV
minimum distance =  2.24186501957698 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.6173932466797126
Energy: 0.5308982879626796
Energy: 0.6321638881106475
Energy: 0.48968123331325064
Energy: 0.6173932467067069
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Energy: 0.6151160248960066
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Energy: 0.6166804045281672
Energy: 0.578348113907778
Energy: 0.5667827434149003
Energy: 0.5460044869908072
Energy: 0.5653312292148825
Energy: 0.5783481139065861
Energy: 0.5667827434160222
Energy: 0.546004486991929
Energy: 0.6002254724351316
Energy: 0.5859891386581778
Energy: 0.5669216843991697
Energy: 0.5311553751645373
Energy: 0.6002254724312753
Energy: 0.5859891386558641
Energy: 0.5669216843730166
Energy: 0.5469357579594306
Energy: 0.5769940987722857
Energy: 0.5861060488629944
Energy: 0.5917368989585885
Energy: 0.5469357579744353
Energy: 0.5769940987676581
Energy: 0.5861060488779991
Energy: 0.5572025103637499
Energy: 0.5643371333412631
Energy: 0.603506566384069
Energy: 0.5851180417647128
Energy: 0.5572025103598935
Energy: 0.5643371333304654
Energy: 0.603506566384069
Energy: 0.6023958642627516
Energy: 0.5575457348079467
Energy: 0.6097959871602471
Energy: 0.5495027189904437
Energy: 0.6023958642704643
Energy: 0.5575457348179732
Energy: 0.609795987167539
Energy: 0.6258311538609177
Energy: 0.522094920192481
Energy: 0.6478911123122268
Energy: 0.5431084774874991
Energy: 0.6258311538759223
Energy: 0.5220949202001938
Energy: 0.6478911123176258
Energy: 0.6437314876697929
Energy: 0.5308982879649933
Energy: 0.6243626046387322
Energy: 0.48968123331247937
Energy: 0.6437314877026068
Energy: 0.5308982879657644
Energy: 0.6243626046387322
Energy: 0.6195766414353088
Energy: 0.5456830106176583
Energy: 0.5548272766934741
Energy: 0.5287961534723463
Energy: 0.6195766414365007
Energy: 0.5456830106196215
Energy: 0.554827276680012

minimum gb energy = 0.48968123330904373 eV
minimum distance =  2.24694672770719 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.5227751284238249
Energy: 0.5747982449262398
Energy: 0.7010905610684524
Energy: 0.5418622023983433
Energy: 0.522775128414919
Energy: 0.5747982449240131
Energy: 0.7010905610702335
Energy: 0.5497887775220417
Energy: 0.6093841445576804
Energy: 0.574778768030638
Energy: 0.5713093788264507
Energy: 0.5497887775198151
Energy: 0.6093841445581256
Energy: 0.5747787680315287
Energy: 0.5466218429683313
Energy: 0.5846234545563325
Energy: 0.5981480091220818
Energy: 0.5749279249929707
Energy: 0.5466218429669955
Energy: 0.5846234545549966
Energy: 0.5981480091158478
Energy: 0.5668316654482521
Energy: 0.575558627475754
Energy: 0.6238566544696267
Energy: 0.5881773864128169
Energy: 0.5668316654429087
Energy: 0.5755586274766447
Energy: 0.6238566544731889
Energy: 0.5434596706289326
Energy: 0.569575575893183
Energy: 0.5496055718247865
Energy: 0.5743423857798776
Energy: 0.5434596706307138
Energy: 0.5695755758878395
Energy: 0.549605571823896
Energy: 0.5695092388855358
Energy: 0.5900621100490852
Energy: 0.5845599337169104
Energy: 0.5809393309661635
Energy: 0.5695092388908793
Energy: 0.5900621100437418
Energy: 0.5845599337155744
Energy: 0.5564463531153007
Energy: 0.5669254460346034
Energy: 0.6140946204114893
Energy: 0.5500683543671685
Energy: 0.5564463531117789
Energy: 0.566925446031527
Energy: 0.6140946204146064
Energy: 0.5850442663486519
Energy: 0.543517085491935
Energy: 0.6152683857628549
Energy: 0.5934276218727281
Energy: 0.5850442663499877
Energy: 0.5435170854839197
Energy: 0.6152683857641907
Energy: 0.5478164018259508
Energy: 0.577090960170307
Energy: 0.5751415686954514
Energy: 0.5812260281552512
Energy: 0.5478164018210526
Energy: 0.5770909601694163
Energy: 0.5751415686923345
Energy: 0.5747284476545995
Energy: 0.5847521539149773
Energy: 0.582978537748616
Energy: 0.5683266329750106
Energy: 0.574728447653709
Energy: 0.5847521539136413
Energy: 0.582978537753514
Energy: 0.5657278518537446
Energy: 0.6016467680669043
Energy: 0.5711916618455077
Energy: 0.6058351647235826
Energy: 0.5657278518497371
Energy: 0.6016467680646778
Energy: 0.5711916618432812
Energy: 0.5540618822237429
Energy: 0.5714233713065063
Energy: 0.5899105286444286
Energy: 0.5301104675682358
Energy: 0.5540618822273052
Energy: 0.5714233713042799
Energy: 0.5899105286528891
Energy: 0.5374333942093461
Energy: 0.6033687838279032
Energy: 0.602071347132918
Energy: 0.5950777659458046
Energy: 0.5374333942124632
Energy: 0.6033687838274578
Energy: 0.6020713471338085
Energy: 0.5605435097301562
Energy: 0.5626133826611956
Energy: 0.5182916031129444
Energy: 0.5696820776131499
Energy: 0.5605435097283751
Energy: 0.5626133826487276
Energy: 0.5182916031098272
Energy: 0.5613202720184526
Energy: 0.5740306314779463
Energy: 0.5906325656304536
Energy: 0.6023080513938869
Energy: 0.5613202720295848
Energy: 0.5740306314783915
Energy: 0.5906325656304536
Energy: 0.5559357311413238
Energy: 0.5816425408330449
Energy: 0.5982008520644974
Energy: 0.5415678706901426
Energy: 0.5559357311462219
Energy: 0.5816425408330449
Energy: 0.5982008520693957
Energy: 0.5802090608210597
Energy: 0.5940950112038599
Energy: 0.5639007546507822
Energy: 0.6147327046795547
Energy: 0.580209060815271
Energy: 0.5940950112176638
Energy: 0.5639007546556803
Energy: 0.5612971483305083
Energy: 0.5596009950541783
Energy: 0.5551284743429296
Energy: 0.5573420978011361
Energy: 0.5612971483345158
Energy: 0.5596009950483894
Energy: 0.5551284743366954
Energy: 0.5299757414590628
Energy: 0.5553854862203672
Energy: 0.6314718725461812
Energy: 0.5959168803509911
Energy: 0.5299757414590628
Energy: 0.5553854862145784
Energy: 0.6314718725466265
Energy: 0.5562323321248908
Energy: 0.5896609795391663
Energy: 0.6152346806547877
Energy: 0.5620522718763523
Energy: 0.5562323321337966
Energy: 0.5896609795449551
Energy: 0.6152346806418744
Energy: 0.5429257340614575
Energy: 0.5255260158327152
Energy: 0.6176965258935547
Energy: 0.5827232458058442
Energy: 0.5429257340547782
Energy: 0.5255260158385039
Energy: 0.6176965258935547
Energy: 0.5526168873016482
Energy: 0.581960284903941
Energy: 0.5702208584744509
Energy: 0.6072225216337301
Energy: 0.5526168872994217
Energy: 0.5819602848999335
Energy: 0.5702208584677715
Energy: 0.5535898325578785
Energy: 0.5830421531161695
Energy: 0.5939442578977154
Energy: 0.5818518528095565
Energy: 0.5535898325587693
Energy: 0.5830421531094901
Energy: 0.5939442578914814
Energy: 0.565177714048346
Energy: 0.5679771595355094
Energy: 0.60844503609243
Energy: 0.5803147092372608
Energy: 0.5651777140541347
Energy: 0.5679771595248224
Energy: 0.6084450360884223
Energy: 0.5382938400450933
Energy: 0.5640940583532985
Energy: 0.5980890436859307
Energy: 0.5846402099118689
Energy: 0.5382938400477651
Energy: 0.5640940583595325
Energy: 0.5980890436810327
Energy: 0.5802433856599041
Energy: 0.5681448160126881
Energy: 0.5662373589531766
Energy: 0.6179105073339262
Energy: 0.5802433856621305
Energy: 0.5681448160131334
Energy: 0.5662373589593702
Energy: 0.508327319515327
Energy: 0.5730279666729077
Energy: 0.5841016844145669
Energy: 0.5255371053446768
Energy: 0.5083273195193346
Energy: 0.57302796667647
Energy: 0.5841016844123404
Energy: 0.5709313903515303
Energy: 0.6008686835073036
Energy: 0.5816776769741719
Energy: 0.5645287802284304
Energy: 0.5709313903461868
Energy: 0.6008686835050773
Energy: 0.5816776769750626
Energy: 0.5440616350263684
Energy: 0.5829192466501595
Energy: 0.5533121561464152
Energy: 0.5693482450371443
Energy: 0.5440616350196891
Energy: 0.5829192466537217
Energy: 0.5533121561455245
Energy: 0.5537256142328932
Energy: 0.5946772581458171
Energy: 0.623359860779764
Energy: 0.5814510796190487
Energy: 0.5537256142333387
Energy: 0.5946772581498248
Energy: 0.6233598607846621
Energy: 0.5448780478029716
Energy: 0.5657211865012785
Energy: 0.5346762049009512
Energy: 0.5891951267562261
Energy: 0.5448780478029716
Energy: 0.5657211865057314
Energy: 0.5346762048982795
Energy: 0.5696574399530995
Energy: 0.5869123564828366
Energy: 0.5846063724389877
Energy: 0.5908352740078867
Energy: 0.5696574399588478
Energy: 0.5869123564761571
Energy: 0.5846063724478935
Energy: 0.5473352289059796
Energy: 0.5570839703564837
Energy: 0.6127963587155935
Energy: 0.5404871935358441
Energy: 0.5473352289041985
Energy: 0.5570839703404533
Energy: 0.6127963587093593
Energy: 0.5653864453255175
Energy: 0.5383022618976043
Energy: 0.6095443824805384
Energy: 0.5884262070208507
Energy: 0.5653864453246269
Energy: 0.5383022618976043
Energy: 0.6095443824774215
Energy: 0.542898210196423
Energy: 0.5769855304089783
Energy: 0.5580407222463092
Energy: 0.5702547278817728
Energy: 0.5428982101933061
Energy: 0.5769855304067518
Energy: 0.5580407222445279
Energy: 0.561242273472909
Energy: 0.5830881543578346
Energy: 0.5767215051274098
Energy: 0.5758548273090934
Energy: 0.5612422734724638
Energy: 0.5830881543605062
Energy: 0.5767215051256287

minimum gb energy = 0.508327319515327 eV
minimum distance =  2.24468617885207 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5630228200092979
Energy: 0.48579104492258063
Energy: 0.5454032131756643
Energy: 0.4659299464913968
Energy: 0.5630228199893278
Energy: 0.48579104491732533
Energy: 0.5454032131756643
Energy: 0.452621353429103
Energy: 0.505697193184026
Energy: 0.5420412248214049
Energy: 0.5040620476006716
Energy: 0.45262135342122006
Energy: 0.5056971931803473
Energy: 0.542041224833492
Energy: 0.48468876406039363
Energy: 0.514539418219294
Energy: 0.5620142627460489
Energy: 0.47491149908506564
Energy: 0.4846887640593425
Energy: 0.5145394182108856
Energy: 0.5620142627266044
Energy: 0.4550973721303086
Energy: 0.48836280454461306
Energy: 0.5533559571976272
Energy: 0.5271836156435006
Energy: 0.45509737214707774
Energy: 0.48836280454934283
Energy: 0.5533559571881677
Energy: 0.5426125735962033
Energy: 0.5215573170221913
Energy: 0.6205207500500651
Energy: 0.4842190172513362
Energy: 0.5426125735935756
Energy: 0.5215573170384827
Energy: 0.6205207500437588
Energy: 0.43443175910591425
Energy: 0.5683018203380247
Energy: 0.5528830198301747
Energy: 0.5258826899470577
Energy: 0.4344317591127462
Energy: 0.5683018203459077
Energy: 0.5528830198259704
Energy: 0.565293291970187
Energy: 0.5269972921505137
Energy: 0.8181622045363339
Energy: 0.4598447958296067
Energy: 0.5652932919749167
Energy: 0.5269972921410542
Energy: 0.8181622045237212
Energy: 0.4326235678478729
Energy: 0.4876620922801961
Energy: 0.6061033593564277
Energy: 0.4874919861365574
Energy: 0.43262356784997497
Energy: 0.48766209227130985
Energy: 0.6061033593485448
Energy: 0.5652777265336595
Energy: 0.4599942070234835
Energy: 0.8182463491471145
Energy: 0.5350795821327735
Energy: 0.565277726526302
Energy: 0.45999420701980476
Energy: 0.8182463491450122
Energy: 0.4457371225547772
Energy: 0.5259731992320258
Energy: 0.5592100067317688
Energy: 0.5682953393398473
Energy: 0.44573712256108355
Energy: 0.525973199227296
Energy: 0.5592100067422793
Energy: 0.5425312021632362
Energy: 0.4863327449894619
Energy: 0.620531000504681
Energy: 0.521844228756218
Energy: 0.5425312021674404
Energy: 0.48633274498368106
Energy: 0.6205310005178193
Energy: 0.45495862314971325
Energy: 0.5272012887899123
Energy: 0.553481015143058
Energy: 0.49358324726569114
Energy: 0.4549586231581218
Energy: 0.5272012887783986
Energy: 0.553481015134124
Energy: 0.4848633686450559
Energy: 0.4745446098437672
Energy: 0.5618047692012792
Energy: 0.514443157315788
Energy: 0.48486336865346435
Energy: 0.4745446098290523
Energy: 0.5618047691729484
Energy: 0.4524618361890514
Energy: 0.5038583323568759
Energy: 0.5413500337676467
Energy: 0.5057343864641927
Energy: 0.4524618361806429
Energy: 0.503858332348993
Energy: 0.5413500337608148
Energy: 0.5630228200071957
Energy: 0.485791044921004
Energy: 0.5454032131746133
Energy: 0.4659299464945499
Energy: 0.5630228199882767
Energy: 0.48579104491627423
Energy: 0.5454032131730367
Energy: 0.452621353430154
Energy: 0.5056971931771941
Energy: 0.5420412248256091
Energy: 0.5040620476017227
Energy: 0.4526213534196435
Energy: 0.5056971931777197
Energy: 0.5420412248345431
Energy: 0.48468876406039363
Energy: 0.5145394182177175
Energy: 0.5620142627439468
Energy: 0.47491149908559127
Energy: 0.48468876406091915
Energy: 0.5145394182124622
Energy: 0.562014262729232
Energy: 0.4550973721308341
Energy: 0.4883628045598534
Energy: 0.5533559571976272
Energy: 0.5271836156419241
Energy: 0.4550973721486544
Energy: 0.48836280455407255
Energy: 0.5533559571860655
Energy: 0.5426125735967289
Energy: 0.5215573170206148
Energy: 0.6205207500500651
Energy: 0.4842190172513362
Energy: 0.5426125735909479
Energy: 0.5215573170410626
Energy: 0.6205207500416566
Energy: 0.4344317591148482
Energy: 0.5683018203390757
Energy: 0.5528830198307002
Energy: 0.5258826899428535
Energy: 0.4344317591116951
Energy: 0.5683018203438055
Energy: 0.5528830198296492
Energy: 0.5652932919733402
Energy: 0.5269972921536668
Energy: 0.8181622045337064
Energy: 0.45984479582592797
Energy: 0.5652932919785955
Energy: 0.5269972921447329
Energy: 0.8181622045205681
Energy: 0.4326235678478729
Energy: 0.4876620922822982
Energy: 0.6061033593606319
Energy: 0.4874919861328787
Energy: 0.4326235678473474
Energy: 0.48766209226658014
Energy: 0.6061033593522234
Energy: 0.5652777265326084
Energy: 0.4599942070229579
Energy: 0.8182463491471145
Energy: 0.535079582132248
Energy: 0.5652777265241999
Energy: 0.45999420702138133
Energy: 0.8182463491413335
Energy: 0.44573712255320064
Energy: 0.5259731992320258
Energy: 0.5592100067343965
Energy: 0.5682953393366943
Energy: 0.4457371225626601
Energy: 0.5259731992330768
Energy: 0.5592100067459581
Energy: 0.5425312021648129
Energy: 0.4863327449920895
Energy: 0.620531000501528
Energy: 0.521844228756218
Energy: 0.5425312021716446
Energy: 0.48633274498368106
Energy: 0.6205310005141407
Energy: 0.4549586231512899
Energy: 0.5272012887909635
Energy: 0.5534810151409559
Energy: 0.4935832472625858
Energy: 0.4549586231612749
Energy: 0.5272012887826029
Energy: 0.553481015135175
Energy: 0.48486336864242824
Energy: 0.4745446098411395
Energy: 0.5618047692049578
Energy: 0.5144431573115837
Energy: 0.48486336865346435
Energy: 0.4745446098274757
Energy: 0.5618047691745249
Energy: 0.4524618361890514
Energy: 0.503858332357927
Energy: 0.541350033771851
Energy: 0.5057343864657692
Energy: 0.45246183618169394
Energy: 0.5038583323510951
Energy: 0.5413500337623914
Energy: 0.5630228200087724
Energy: 0.48579104492205505
Energy: 0.5454032131751387
Energy: 0.4659299464913968
Energy: 0.5630228199893278
Energy: 0.48579104491732533
Energy: 0.5454032131767154
Energy: 0.4526213534296285
Energy: 0.5056971931845514
Energy: 0.5420412248203539
Energy: 0.5040620476011971
Energy: 0.45262135342122006
Energy: 0.5056971931787707
Energy: 0.54204122483139

minimum gb energy = 0.4326235678473474 eV
minimum distance =  2.2698744038678 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.5662423900293115
Energy: 0.517349558748717
Energy: 0.7771335963052183
Energy: 0.5173757398847975
Energy: 0.5662423900242077
Energy: 0.5173495587506309
Energy: 0.7771335963001146
Energy: 0.5168184965812375
Energy: 0.5180663833525921
Energy: 0.5295549956088452
Energy: 0.5201535899220971
Energy: 0.5168184965748578
Energy: 0.518066383355782
Energy: 0.529554995612035
Energy: 0.5249327744995677
Energy: 0.577617871023418
Energy: 0.5734132669420731
Energy: 0.5542526163210234
Energy: 0.5249327745014816
Energy: 0.5776178710259698
Energy: 0.5734132669382452
Energy: 0.5430754046653606
Energy: 0.5073231402345937
Energy: 0.5600390066276416
Energy: 0.5412718675550273
Energy: 0.543075404678091
Energy: 0.5073231402352316
Energy: 0.5600390066276416
Energy: 0.5342457826865598
Energy: 0.5583241774308796
Energy: 0.6382525003413165
Energy: 0.5540731979410998
Energy: 0.5342457826801801
Energy: 0.5583241774289657
Energy: 0.6382525003400406
Energy: 0.5380984428162691
Energy: 0.5290715784186758
Energy: 0.4939342610778666
Energy: 0.5282515060780312
Energy: 0.5380984428156311
Energy: 0.5290715784301302
Energy: 0.49393426107850463
Energy: 0.5299385779805521
Energy: 0.5805338846001588
Energy: 0.655669858051305
Energy: 0.5127150187891287
Energy: 0.5299385779716206
Energy: 0.5805338845918653
Energy: 0.6556698580532189
Energy: 0.4818742708883851
Energy: 0.5030991828064284
Energy: 0.5312704514586668
Energy: 0.551022152046834
Energy: 0.48187427088583323
Energy: 0.5030991827968588
Energy: 0.5312704514529251
Energy: 0.5194588591688603
Energy: 0.5670356846888364
Energy: 0.6014012227086041
Energy: 0.5461390615986366
Energy: 0.5194588591701361
Energy: 0.5670356846811807
Energy: 0.6821377347395072
Energy: 0.5297917662742533
Energy: 0.5124392123132815
Energy: 0.5837745545242802
Energy: 0.5097875669242602
Energy: 0.5297917662653218
Energy: 0.5124392123139194
Energy: 0.5837745545217283
Energy: 0.4882244636897521
Energy: 0.5633912638580432
Energy: 0.740300281427989
Energy: 0.5817060941521395
Energy: 0.4882244636884761
Energy: 0.563391263863147
Energy: 0.7403002814343397
Energy: 0.5512721336724177
Energy: 0.5629850370733186
Energy: 0.6707047912723515
Energy: 0.4828717318872697
Energy: 0.5512721336711418
Energy: 0.5629850370605592
Energy: 0.6707047912640578
Energy: 0.5087449052901524
Energy: 0.5728810705394216
Energy: 0.6623359741973975
Energy: 0.5474805093624634
Energy: 0.5087449052850486
Energy: 0.57288107053049
Energy: 0.6623359741999493
Energy: 0.5325526621024225
Energy: 0.5821420115623799
Energy: 0.6553777027927773
Energy: 0.5230671385410248
Energy: 0.5325526621043364
Energy: 0.5821420115642938
Energy: 0.6553777027921392
Energy: 0.5627805805652395
Energy: 0.5784486553768635
Energy: 0.6047439270277665
Energy: 0.6017760897415052
Energy: 0.5627805805690673
Energy: 0.5784486553775016
Energy: 0.6047439270252145
Energy: 0.5416702287925509
Energy: 0.5383307178733862
Energy: 0.5384733819256697
Energy: 0.5495376602027031
Energy: 0.5416702287868091
Energy: 0.5383307178753
Energy: 0.5384733819307447
Energy: 0.515734624658896
Energy: 0.563060884808638
Energy: 0.5215998463942632
Energy: 0.5655603105013722
Energy: 0.5157346246691035
Energy: 0.5630608848207305
Energy: 0.5215998463923494
Energy: 0.5391914790222846
Energy: 0.4969287405544012
Energy: 0.49726862612417344
Energy: 0.531226997230386
Energy: 0.5391914790190948
Energy: 0.49692874055121145
Energy: 0.49726862612228856
Energy: 0.5463571223083841
Energy: 0.5754096740796305
Energy: 0.4940905471068776
Energy: 0.532400764981415
Energy: 0.5463571223122119
Energy: 0.5754096740783546
Energy: 0.4940905471094295
Energy: 0.5304509606887975
Energy: 0.4901050181170954
Energy: 0.5913950575983882
Energy: 0.5452005611880716
Energy: 0.5304509606856077
Energy: 0.4901050181132676
Energy: 0.5913950575951983
Energy: 0.5464260189343116
Energy: 0.53268279391974
Energy: 0.4944895342124125
Energy: 0.575402074766656
Energy: 0.5464260189432432
Energy: 0.532682793920378
Energy: 0.49448953421049857
Energy: 0.5390601056233331
Energy: 0.5420545326709203
Energy: 0.5017667579802476
Energy: 0.49673935366668653
Energy: 0.5390601056214191
Energy: 0.5420545326804898
Energy: 0.5017667579700401
Energy: 0.5157086824932274
Energy: 0.5341441962587884
Energy: 0.5296489994916395
Energy: 0.5630876010532271
Energy: 0.5157086824874857
Energy: 0.5341441962562365
Energy: 0.529648999498019
Energy: 0.5431790523668181
Energy: 0.5496374121969384
Energy: 0.5386749616844848
Energy: 0.5475439518310513
Energy: 0.5431790523610764
Energy: 0.5496374121956625
Energy: 0.5386749616870368
Energy: 0.5627845154698411
Energy: 0.5993917572948338
Energy: 0.5312305162937752
Energy: 0.5787434591665237
Energy: 0.5627845154660133
Energy: 0.5993917572948338
Energy: 0.5312305162950511

minimum gb energy = 0.48187427088583323 eV
minimum distance =  2.22416505638444 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.5949117138039556
Energy: 0.5732941350901261
Energy: 0.589445877606762
Energy: 0.5356966961526848
Energy: 0.5949117138110764
Energy: 0.573294135097247
Energy: 0.5894458776103226
Energy: 0.6217152925084886
Energy: 0.559826065382105
Energy: 0.6387021345141174
Energy: 0.6020303501171729
Energy: 0.6217152925013676
Energy: 0.559826065389226
Energy: 0.6387021345141174
Energy: 0.6041682002077317
Energy: 0.553668936129544
Energy: 0.6141278764574818
Energy: 0.5499318264384885
Energy: 0.6041682002006108
Energy: 0.553668936129544
Energy: 0.6141278764681632
Energy: 0.5791237497088431
Energy: 0.5757979501352121
Energy: 0.5924267070355249
Energy: 0.5935340092961633
Energy: 0.5791237496981616
Energy: 0.5757979501352121
Energy: 0.5924267070390853
Energy: 0.5888118133186946
Energy: 0.5237565282693178
Energy: 0.5892375145239218
Energy: 0.5503266866560298
Energy: 0.5888118133257509
Energy: 0.5237565282515154
Energy: 0.5892375145168008
Energy: 0.5560321083467293
Energy: 0.5540019858751853
Energy: 0.6126194404844256
Energy: 0.5636301991364587
Energy: 0.5560321083502897
Energy: 0.5540019858929878
Energy: 0.6126194404630626
Energy: 0.5726002764364715
Energy: 0.5276177880710827
Energy: 0.6102815464584513
Energy: 0.5673115496031595
Energy: 0.5726002764364715
Energy: 0.5276177880639616
Energy: 0.6102815464406488
Energy: 0.5527252783254487
Energy: 0.535287338521769
Energy: 0.5501368469736286
Energy: 0.5435918964220333
Energy: 0.5527252783218883
Energy: 0.5352873385395714
Energy: 0.5501368469629472
Energy: 0.5509831562147184
Energy: 0.5365382047834022
Energy: 0.6096786478080167
Energy: 0.516865333873694
Energy: 0.550983156182674
Energy: 0.5365382047798418
Energy: 0.6096786477973353
Energy: 0.5547539094599859
Energy: 0.5353928096521037
Energy: 0.6126128963162207
Energy: 0.5297740233319944
Energy: 0.5547539094493045
Energy: 0.5353928096414221
Energy: 0.6126128963162207
Energy: 0.540303522540747
Energy: 0.5464255540101729
Energy: 0.5901661267735214
Energy: 0.5860916729561853
Energy: 0.540303522533626
Energy: 0.5464255540137333
Energy: 0.590166126784203
Energy: 0.5488042763891654
Energy: 0.5358300095741955
Energy: 0.6118731762477189
Energy: 0.5612323839438774
Energy: 0.5488042763962864
Energy: 0.535830009563514
Energy: 0.611873176240598
Energy: 0.5437447355565501
Energy: 0.5358296279449009
Energy: 0.6313455284403371
Energy: 0.5337637055341653
Energy: 0.5437447355316266
Energy: 0.5358296279484612
Energy: 0.6313455284438976
Energy: 0.5618532257481739
Energy: 0.5566430408715385
Energy: 0.584358283929154
Energy: 0.5600843442739921
Energy: 0.5618532257695369
Energy: 0.5566430408822199
Energy: 0.5843582839327145
Energy: 0.5493571855775917
Energy: 0.5489142611326355
Energy: 0.634603315531357
Energy: 0.5256270676963231
Energy: 0.5493571855669102
Energy: 0.5489142611255144
Energy: 0.634603315545599
Energy: 0.5599243008866951
Energy: 0.561535198696954
Energy: 0.589787442696037
Energy: 0.5353849624428111
Energy: 0.5599243008653968
Energy: 0.561535198711196
Energy: 0.589787442710279
Energy: 0.5427059378264073
Energy: 0.5346587686053198
Energy: 0.6110029250508913
Energy: 0.5558914987539973
Energy: 0.5427059378157906
Energy: 0.5346587686088804
Energy: 0.6110029250508913
Energy: 0.5495602106041535
Energy: 0.5385636960940698
Energy: 0.5675882280831474
Energy: 0.5334312824611355
Energy: 0.5495602106041535
Energy: 0.5385636961047513
Energy: 0.5675882280724658
Energy: 0.541674002808164
Energy: 0.5466329345322714
Energy: 0.6058357022305277
Energy: 0.5507361413339266
Energy: 0.541674002808164
Energy: 0.546632934528711
Energy: 0.6058357022340881
Energy: 0.5498417158275913
Energy: 0.5456961457472048
Energy: 0.5758724009490213
Energy: 0.5433180034042671
Energy: 0.5498417158098536
Energy: 0.5456961457436443
Energy: 0.5758724009561421
Energy: 0.5238605660820467
Energy: 0.5526888527516927
Energy: 0.6320567534356673
Energy: 0.5190473726266726
Energy: 0.5238605660713651
Energy: 0.5526888527481323
Energy: 0.6320567534321067
Energy: 0.5617136773163587
Energy: 0.5358346478841617
Energy: 0.5940893243345703
Energy: 0.5400636897140068
Energy: 0.5617136773234797
Energy: 0.5358346478948431
Energy: 0.5940893243167678
Energy: 0.5553267947382803
Energy: 0.5686868223073424
Energy: 0.629669444257942
Energy: 0.5714679984502122
Energy: 0.5553267947347198
Energy: 0.5686868223144633
Energy: 0.6296694442472605
Energy: 0.6133584948750054
Energy: 0.5675523102951909
Energy: 0.5748627449792514
Energy: 0.5422855235120144
Energy: 0.6133584948643239
Energy: 0.567552310302312
Energy: 0.5748627449685698
Energy: 0.5613623471696109
Energy: 0.583939313453571
Energy: 0.6204464972032435
Energy: 0.5918331497203596
Energy: 0.5613623471518084
Energy: 0.5839393134428895
Energy: 0.6204464972103644
Energy: 0.5914146174012356
Energy: 0.5678376311684845
Energy: 0.6000383304065086
Energy: 0.5588143541586151
Energy: 0.5914146174012356
Energy: 0.5678376311756055
Energy: 0.600038330424311
Energy: 0.6022789413828833
Energy: 0.5807775088323377
Energy: 0.6176017368570459
Energy: 0.5950519879647781
Energy: 0.6022789413971252
Energy: 0.5807775088501401
Energy: 0.6176017368748485
Energy: 0.5891652705127027
Energy: 0.568557359647562
Energy: 0.5815072249589978
Energy: 0.6004828904444723
Energy: 0.5891652705269448
Energy: 0.5685573596582435
Energy: 0.5815072249589978
Energy: 0.6172968497276244
Energy: 0.5922812846344165
Energy: 0.590152747729772
Energy: 0.6176739087212645
Energy: 0.6172968497205035
Energy: 0.5922812846237351
Energy: 0.5901527477440139
Energy: 0.541881020401152
Energy: 0.5536783164152277
Energy: 0.5773833910242314
Energy: 0.5701008786168144
Energy: 0.5418810204118336
Energy: 0.5536783164330301
Energy: 0.5773833910277918
Energy: 0.5801685145035615
Energy: 0.5870554840593274
Energy: 0.5664718319891767
Energy: 0.5857268642947852
Energy: 0.5801685145106825
Energy: 0.5870554840380291
Energy: 0.5664718319784953
Energy: 0.555771241495144
Energy: 0.5138957965038101
Energy: 0.5316070541196957
Energy: 0.5500168201675631
Energy: 0.5557712414880231
Energy: 0.5138957965038101
Energy: 0.5316070541090141
Energy: 0.5639068424079204
Energy: 0.549714965462205
Energy: 0.6143163821445453
Energy: 0.5636411893888281
Energy: 0.5639068424079204
Energy: 0.5497149654800074
Energy: 0.6143163821409848
Energy: 0.5382472285287428
Energy: 0.5143747519137915
Energy: 0.5475365510476806
Energy: 0.5431279406719989
Energy: 0.5382472285323032
Energy: 0.5143747519280334
Energy: 0.547536551065483
Energy: 0.5066097301913045
Energy: 0.5487944041746474
Energy: 0.5901858630209882
Energy: 0.5798844976726322
Energy: 0.5066097301913045
Energy: 0.5487944041853288
Energy: 0.590185863024484
Energy: 0.5070169800173105
Energy: 0.5251228077737353
Energy: 0.5545615490734116
Energy: 0.5820308923025127
Energy: 0.507016980006629
Energy: 0.5251228077772958
Energy: 0.5545615490805326
Energy: 0.5435717871443903
Energy: 0.5346816090218379
Energy: 0.5639549158522322
Energy: 0.5626515694526144
Energy: 0.5435717871443903
Energy: 0.5346816090218379
Energy: 0.563954915845176
Energy: 0.5265348093527509
Energy: 0.5077694124693957
Energy: 0.5418035873600097
Energy: 0.5523683705192218
Energy: 0.5265348093349483
Energy: 0.5077694124658353
Energy: 0.5418035873387115
Energy: 0.5313116137769809
Energy: 0.5518669317069409
Energy: 0.5488940064143172
Energy: 0.6036852431730313
Energy: 0.5313116137627389
Energy: 0.5518669317033805
Energy: 0.5488940064178777
Energy: 0.5280119193272678
Energy: 0.552944414836094
Energy: 0.5912868989924197
Energy: 0.5489576601988216
Energy: 0.5280119193307636
Energy: 0.5529444148325335
Energy: 0.5912868990066615
Energy: 0.5489176995555247
Energy: 0.5737075180239731
Energy: 0.5990109342577546
Energy: 0.5490798951839654
Energy: 0.5489176995697667
Energy: 0.5737075180097311
Energy: 0.5990109342613151
Energy: 0.5372659510913771
Energy: 0.5572803629193752
Energy: 0.5982600932613308
Energy: 0.5591115517191068
Energy: 0.5372659510771998
Energy: 0.5572803629371778
Energy: 0.5982600932506493
Energy: 0.5521217579279301
Energy: 0.5764467165143558
Energy: 0.5833159853167811
Energy: 0.5270101878956093
Energy: 0.5521217579386115
Energy: 0.5764467165143558
Energy: 0.5833159853132206
Energy: 0.5326119462241353
Energy: 0.5400641352880172
Energy: 0.5774355753135185
Energy: 0.5398010910225735
Energy: 0.5326119462170145
Energy: 0.5400641352666542
Energy: 0.5774355753206395
Energy: 0.5462927378131212
Energy: 0.5673503795258555
Energy: 0.6011051334067995
Energy: 0.5389377959044964
Energy: 0.5462927378166816
Energy: 0.5673503795400975
Energy: 0.6011051334103599

minimum gb energy = 0.5066097301913045 eV
minimum distance =  2.22464406158617 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.34481740535740085
Energy: 0.3474419666450612
Energy: 1.0386975896926067
Energy: 0.34744196665469435
Energy: 0.3448174053590063
Energy: 0.34744196665469435
Energy: 1.038697589691804
Energy: 0.34481740536221733
Energy: 0.3474419666571026
Energy: 1.0386975896958177
Energy: 0.34744196664827226
Energy: 0.3448174053590063
Energy: 0.3474419666474695
Energy: 1.0386975897030426
Energy: 0.3448174053638229
Energy: 0.34744196664666677
Energy: 1.0371940293635233
Energy: 0.3474419666450612
Energy: 0.3448174053598091
Energy: 0.34744196664827226
Energy: 1.037194029364326
Energy: 0.34481740535499256
Energy: 0.347441966645864
Energy: 1.0386975896926067
Energy: 0.34744196665549704
Energy: 0.34481740535740085
Energy: 0.34744196665549704
Energy: 1.0386975896926067
Energy: 0.3448174053638229
Energy: 0.34744196665549704
Energy: 1.037194029365129
Energy: 0.34744196664827226
Energy: 0.3448174053598091
Energy: 0.347441966645864
Energy: 1.0371940293627206
Energy: 0.34481740536302014
Energy: 0.3474419666474695
Energy: 1.038697589701437
Energy: 0.3474419666474695
Energy: 0.34481740535740085
Energy: 0.34744196664827226
Energy: 1.0386975896958177
Energy: 0.34481740535740085
Energy: 0.347441966645864
Energy: 1.0386975896926067
Energy: 0.34744196665469435
Energy: 0.3448174053590063
Energy: 0.34744196665469435
Energy: 1.0386975896926067
Energy: 0.3448174053614146
Energy: 0.3474419666571026
Energy: 1.037194029364326
Energy: 0.3474419666474695
Energy: 0.3448174053590063
Energy: 0.34744196664666677
Energy: 1.0371940293595097
Energy: 0.34481740536302014
Energy: 0.34744196664666677
Energy: 1.0371940293619177
Energy: 0.3474419666450612
Energy: 0.3448174053598091
Energy: 0.34744196664827226
Energy: 1.0371940293619177
Energy: 0.34481740535740085
Energy: 0.347441966645864
Energy: 1.0386975896934096
Energy: 0.34744196665549704
Energy: 0.34481740535820354
Energy: 0.34744196665469435
Energy: 1.0386975896910013
Energy: 0.3448174053638229
Energy: 0.34744196665549704
Energy: 1.0386975896966204
Energy: 0.34744196664827226
Energy: 0.3448174053598091
Energy: 0.3474419666450612
Energy: 1.038697589701437
Energy: 0.34481740536221733
Energy: 0.34744196664827226
Energy: 1.038697589701437
Energy: 0.3474419666474695
Energy: 0.34481740535740085
Energy: 0.34744196664827226
Energy: 1.0386975896958177
Energy: 0.34481740535740085
Energy: 0.347441966645864
Energy: 1.038697589691804
Energy: 0.34744196665469435
Energy: 0.3448174053590063
Energy: 0.34744196665469435
Energy: 1.0386975896934096
Energy: 0.34481740536221733
Energy: 0.3474419666571026
Energy: 1.0371940293659316
Energy: 0.34744196664827226
Energy: 0.34481740535820354
Energy: 0.34744196664666677
Energy: 1.0371940293627206
Energy: 0.34481740536302014
Energy: 0.34744196664666677
Energy: 0.9892104768605882
Energy: 0.347441966645864
Energy: 0.3448174053598091
Energy: 0.34744196664827226
Energy: 1.0371940293659316
Energy: 0.3448174053541898
Energy: 0.347441966645864
Energy: 1.0386975896934096
Energy: 0.34744196665549704
Energy: 0.34481740535820354
Energy: 0.34744196665549704
Energy: 1.038697589691804
Energy: 0.34481740536302014
Energy: 0.34744196665469435
Energy: 1.0137048657695216
Energy: 0.34744196664907506
Energy: 0.3448174053598091
Energy: 0.3474419666450612
Energy: 1.0137048657703245
Energy: 0.34481740536302014
Energy: 0.3474419666474695
Energy: 0.897759443398503
Energy: 0.34744196664666677
Energy: 0.34481740535820354
Energy: 0.34744196664827226
Energy: 0.9548238326533823
Energy: 0.34481740535579536
Energy: 0.347441966645864
Energy: 1.037194029365129
Energy: 0.34744196665469435
Energy: 0.3448174053590063
Energy: 0.34744196665469435
Energy: 1.0386975896934096
Energy: 0.34481740536221733
Energy: 0.3474419666571026
Energy: 0.9892104768605882
Energy: 0.34744196664827226
Energy: 0.34481740535820354
Energy: 0.34744196664666677
Energy: 0.9892104768621935

minimum gb energy = 0.3448174053541898 eV
minimum distance =  2.21451908959901 Angstroms
sigma value = 23